tert-butyl 3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxylate

C13H20N4O3 — CID 67103397

IUPACtert-butyl 3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxylate
SMILESCN1C(=O)N(c2nccn2C)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C13H20N4O3/c1-13(2,3)20-10(18)9-8-17(12(19)16(9)5)11-14-6-7-15(11)4/h6-7,9H,8H2,1-5H3
InChIKeyMCSVDIYKPLYEDG-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.00
Rot. Bonds2

About tert-butyl 3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxylate

tert-butyl 3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxylate (PubChem CID 67103397) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is tert-butyl 3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxylate
PubChem CID67103397
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nametert-butyl 3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxylate
SMILESCN1C(=O)N(c2nccn2C)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C13H20N4O3/c1-13(2,3)20-10(18)9-8-17(12(19)16(9)5)11-14-6-7-15(11)4/h6-7,9H,8H2,1-5H3
InChIKeyMCSVDIYKPLYEDG-UHFFFAOYSA-N
XLogP1.00
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate
CID 67103400
tert-butyl 3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxylate
CID 67103421
4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one
CID 168501466
tert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate
CID 129471736
tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
CID 99817733
tert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 158781811
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid
CID 146596831
tert-butyl (3S,4R)-3-fluoro-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxylate
CID 169128359
[1-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676296
tert-butyl 3-[(1-methylimidazol-2-yl)amino]pyrrolidine-1-carboxylate
CID 177305921
tert-butyl 3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 171973729
ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate
CID 62131854

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxylate?
The IUPAC name of tert-butyl 3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxylate (CID 67103397) is tert-butyl 3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxylate is CN1C(=O)N(c2nccn2C)CC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxylate?
The InChIKey is MCSVDIYKPLYEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(2,3)20-10(18)9-8-17(12(19)16(9)5)11-14-6-7-15(11)4/h6-7,9H,8H2,1-5H3.
What are the key properties of tert-butyl 3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxylate?
tert-butyl 3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-1-(1-methylimidazol-2-yl)-2-oxoimidazolidine-4-carboxylate is sourced from PubChem (CID 67103397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).